4,6-dimethyl-N-propyloctan-2-amine

C13H29N — CID 64720545

IUPAC4,6-dimethyl-N-propyloctan-2-amine
SMILESCCCNC(C)CC(C)CC(C)CC
InChIInChI=1S/C13H29N/c1-6-8-14-13(5)10-12(4)9-11(3)7-2/h11-14H,6-10H2,1-5H3
InChIKeyLBXMUYUSSUTSAV-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds8

About 4,6-dimethyl-N-propyloctan-2-amine

4,6-dimethyl-N-propyloctan-2-amine (PubChem CID 64720545) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 4,6-dimethyl-N-propyloctan-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-propyloctan-2-amine
PubChem CID64720545
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name4,6-dimethyl-N-propyloctan-2-amine
SMILESCCCNC(C)CC(C)CC(C)CC
InChIInChI=1S/C13H29N/c1-6-8-14-13(5)10-12(4)9-11(3)7-2/h11-14H,6-10H2,1-5H3
InChIKeyLBXMUYUSSUTSAV-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-propyloctan-2-amine?
The IUPAC name of 4,6-dimethyl-N-propyloctan-2-amine (CID 64720545) is 4,6-dimethyl-N-propyloctan-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-propyloctan-2-amine?
The canonical SMILES for 4,6-dimethyl-N-propyloctan-2-amine is CCCNC(C)CC(C)CC(C)CC.
What is the InChIKey of 4,6-dimethyl-N-propyloctan-2-amine?
The InChIKey is LBXMUYUSSUTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-8-14-13(5)10-12(4)9-11(3)7-2/h11-14H,6-10H2,1-5H3.
What are the key properties of 4,6-dimethyl-N-propyloctan-2-amine?
4,6-dimethyl-N-propyloctan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-propyloctan-2-amine is sourced from PubChem (CID 64720545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).